test_similarities.py 文件源码

def test_simmatrix_importfpneigh_run():
    output_fn = tmpname()

    tsv = '''Compounds similar to 2mlm_2W7_frag1:
2mlm_2W7_frag1   1.0000
2mlm_2W7_frag2   0.5877
Compounds similar to 2mlm_2W7_frag2:
2mlm_2W7_frag2   1.0000
3wvm_STE_frag1   0.4633
'''
    inputfile = StringIO(tsv)

    try:
        script.simmatrix_importfpneigh_run(inputfile=inputfile,
                                           simmatrixfn=output_fn,
                                           fragmentsdb='data/fragments.sqlite',
                                           nrrows=3)

        simmatrix = SimilarityMatrix(output_fn)
        rows = [r for r in simmatrix]
        simmatrix.close()
        expected = [(u'2mlm_2W7_frag1', u'2mlm_2W7_frag2', 0.5877), (u'2mlm_2W7_frag2', u'3wvm_STE_frag1', 0.4633)]
        assert rows == expected
    finally:
        os.remove(output_fn)